依那扎群磷酸酯 | 132956-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 依那扎群磷酸酯
• 英文名称: Enazadrem phosphate
• 英文别名: 4,6-dimethyl-2-(6-phenylhexylamino)pyrimidin-5-ol;phosphoric acid
• CAS: 132956-22-0
• 化学式: C18H28N3O5P
• 分子量: 397.4
• InChiKey: BPQAYMFGBGMJRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  136
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use
  申请人：——

  公开号：US20010041726A1

  公开（公告）日：2001-11-15

  The present invention describes novel nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitors and novel compositions comprising at least one nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitor, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or optionally, at least one therapeutic agent, such as, steroids, nonsteroidal antiinflammatory compounds (NSAID), 5-lipoxygenase (5-LO) inhibitors, leukotriene B 4 (LTB 4 ) receptor antagonists, leukotriene A 4 (LTA 4 ) hydrolase inhibitors, 5-HT agonists, 3-hydroxy-3-methylglutaryl coenzyme A (HMGCoA) inhibitors, H antagonists, antineoplastic agents, antiplatelet agents, decongestants, diuretics, sedating or non-sedating anti-histamines, inducible nitric oxide synthase inhibitors, opioids, analgesics, Helicobacter pylori inhibitors, proton pump inhibitors, isoprostane inhibitors, and mixtures thereof. The present invention also provides novel compositions comprising at least one parent COX-2 inhibitor and at least one nitric oxide donor, and, optionally, at least one therapeutic agent. The present invention also provides kits and methods for treating inflammation, pain and fever; for treating and/or improving the gastrointestinal properties of COX-2 inhibitors; for facilitating wound healing; for treating and/or preventing renal toxicity; and for treating and/or preventing other disorders resulting from elevated levels of cyclooxygenase-2.

  本发明描述了新颖的硝化和/或亚硝化环氧合酶2（COX-2）抑制剂以及包含至少一种硝化和/或亚硝化环氧合酶2（COX-2）抑制剂的新型组合物，以及可选地，至少一种捐赠、转移或释放一氧化氮、刺激内源性一氧化氮合成、提高内源性内皮源性舒张因子水平或是一氧化氮合酶底物的化合物，和/或可选地，至少一种治疗剂，如类固醇、非甾体抗炎化合物（NSAID）、5-脂氧合酶（5-LO）抑制剂、白三烯B4（LTB4）受体拮抗剂、白三烯A4（LTA4）水解酶抑制剂、5-HT激动剂、3-羟基-3-甲基戊二酰辅酶A（HMGCoA）抑制剂、H受体拮抗剂、抗肿瘤药物、抗血小板药物、解充血剂、利尿剂、镇静或非镇静抗组胺药、诱导型一氧化氮合酶抑制剂、阿片类药物、镇痛剂、幽门螺杆菌抑制剂、质子泵抑制剂、异前列腺素抑制剂以及其混合物。本发明还提供了包含至少一种母体COX-2抑制剂和至少一种一氧化氮供体的新型组合物，以及可选地，至少一种治疗剂。本发明还提供了用于治疗炎症、疼痛和发热的工具和方法；用于治疗和/或改善COX-2抑制剂的胃肠道特性；用于促进伤口愈合；用于治疗和/或预防肾毒性；以及用于治疗和/或预防由于环氧合酶-2水平升高而导致的其他疾病的工具和方法。
• Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents
  申请人：PFIZER INC.

  公开号：US20030144280A1

  公开（公告）日：2003-07-31

  This invention relates to a compound of the formula: 1 or a pharmaceutically acceptable salt thereof, wherein A and R 1 are each an optionally substituted 5 to 6-membered heteroaryl, wherein the heteroaryl is optionally fused to a carbocyclic ring or 5 to 6-heteroaryl; R 2 is NH 2 ; R 3 and R 4 are each hydrogen, halo, (C 1 -C 4 )alkyl optionally substituted with halo and the like; and X 1 to X 4 are each hydrogen, halo, hydroxy, (C 1 -C 4 )alkyl optionally substituted with halo and the like. These compounds have COX-2 inhibiting activity and thus useful for treating or preventing inflammation or other COX-2 related diseases.

  本发明涉及一种化合物的公式： 1 或其药用可接受的盐，其中A和R 1 各自为可选地取代的5至6成员的杂芳基，其中杂芳基可选择性熔合至碳环或5至6-杂芳基；R 2 为NH 2 ；R 3 和R 4 各自为氢，卤素，(C 1 -C 4 )烷基可选择性被卤素等取代；和X 1 至X 4 各自为氢，卤素，羟基，(C 1 -C 4 )烷基可选择性被卤素等取代。这些化合物具有COX-2抑制活性，因此可用于治疗或预防炎症或其它COX-2相关疾病。
• Oxime and/or hydrozone containing nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use
  申请人：NitroMed, Inc.

  公开号：US20040006133A1

  公开（公告）日：2004-01-08

  The invention describes novel cyclooxygenase 2 (COX-2) selective inhibitors having at least one oxime group or hydrazone group and novel compositions comprising at least one cyclooxygenase 2 (COX-2) selective inhibitor having at least one oxime group or hydrazone group, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one COX-2 selective inhibitor having at least one oxime group or hydrazone group, optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor, and/or, optionally, at least one therapeutic agent. The novel cyclooxygenase 2 selective inhibitors of the invention having at least one oxime group or hydrazone group can be optionally nitrosated and/or nitrosylated. The invention also provides methods for treating inflammation, pain and fever; for treating and/or improving the gastrointestinal properties of COX-2 selective inhibitors; for facilitating wound healing; for treating and/or preventing renal and/or respiratory toxicity; for treating and/or preventing other disorders resulting from elevated levels of cyclooxygenase-2; and for improving the cardiovascular profile of COX-2 selective inhibitors.

  该发明描述了具有至少一个肟基团或缩醛基团的新型环氧合酶2（COX-2）选择性抑制剂，以及包含至少一个具有至少一个肟基团或缩醛基团的环氧合酶2（COX-2）选择性抑制剂的新型组合物，以及可选地至少一个供体、转移或释放一氧化氮、刺激内源性一氧化氮合成、提高内源性内皮源性舒张因子水平或是一氧化氮合酶底物的化合物，和/或至少一个治疗剂。该发明还提供了包含至少一个具有至少一个肟基团或缩醛基团的COX-2选择性抑制剂的新型试剂盒，可选地硝化和/或亚硝化，以及可选地至少一个一氧化氮供体，和/或，可选地至少一个治疗剂的试剂盒。该发明的新型环氧合酶2选择性抑制剂具有至少一个肟基团或缩醛基团，可选地硝化和/或亚硝化。该发明还提供了治疗炎症、疼痛和发热的方法；用于治疗和/或改善COX-2选择性抑制剂的胃肠特性；促进伤口愈合；用于治疗和/或预防肾脏和/或呼吸道毒性；用于治疗和/或预防由于环氧合酶-2水平升高而导致的其他疾病；以及用于改善COX-2选择性抑制剂的心血管特性的方法。
• Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors
  申请人：——

  公开号：US20010056189A1

  公开（公告）日：2001-12-27

  This invention is in the field of antiinflammatory pharmaceutical agents and specifically relates to compounds, compositions and methods for treating disorders mediated by cyclooxygenase-2 or 5-lipoxygenase, such as inflammation.

  这项发明属于抗炎药物领域，具体涉及用于治疗由环氧合酶-2或5-脂氧合酶介导的疾病的化合物、组合物和方法，如炎症。
• [EN] NITROSATED BENZOPYRAN COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS<br/>[FR] COMPOSES BENZOPYRANNE NITROSES EN TANT QUE NOUVEAUX INHIBITEURS SELECTIFS DE LA CYCLOOXYGENASE-2
  申请人：PHARMACIA & UPJOHN CO LLC

  公开号：WO2006040676A1

  公开（公告）日：2006-04-20

  This invention specifically relates to novel cyclooxygenase 2 (COX-2) selective inhibitor compounds that donate, transfer or release nitric oxide, stimulate endogenous synthesis of nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase. Compounds of particular interest and their analogs defined by formula (I) wherein Z, X, R1, R2, R3, and R4 are as described in the specification. This invention also relates to pharmaceutical compositions and methods for treating COX-2 mediated disorders, such as inflammation and inflammation related disorders.

  这项发明特指与新型环氧合酶2（COX-2）选择性抑制剂化合物有关，这些化合物可以提供、转移或释放一氧化氮，刺激内源性一氧化氮的合成，提高内源性内皮源性舒张因子的水平，或者是一氧化氮合酶的底物。特别感兴趣的化合物及其由式（I）中定义的类似物，其中Z、X、R1、R2、R3和R4如规范中所述。这项发明还涉及用于治疗COX-2介导的疾病，如炎症和与炎症相关的疾病的药物组合物和方法。